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Ian M. Kenney
Publication Activity (10 Years)
Years Active: 2016-2018
Publications (10 Years): 3
Top Topics
Active Contours
Force Field
Attribute Values
Molecular Dynamics Simulations
Top Venues
J. Comput. Aided Mol. Des.
SciPy
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Publications
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Edithe Selwa
,
Ian M. Kenney
,
Oliver Beckstein
,
Bogdan I. Iorga
SAMPL6: calculation of macroscopic pK a values from ab initio quantum mechanical free energies.
J. Comput. Aided Mol. Des.
32 (10) (2018)
Ian M. Kenney
,
Oliver Beckstein
,
Bogdan I. Iorga
Prediction of cyclohexane-water distribution coefficients for the SAMPL5 data set using molecular dynamics simulations with the OPLS-AA force field.
J. Comput. Aided Mol. Des.
30 (11) (2016)
Richard J. Gowers
,
Max Linke
,
Jonathan Barnoud
,
Tyler J. E. Reddy
,
Manuel N. Melo
,
Sean L. Seyler
,
Jan J. Domanski
,
David L. Dotson
,
Sébastien Buchoux
,
Ian M. Kenney
,
Oliver Beckstein
MDAnalysis: A Python Package for the Rapid Analysis of Molecular Dynamics Simulations.
SciPy
(2016)